SCHEMBL3948892

SCHEMBL3948892

CC(c1ccc2ccccc2c1)N1C(=O)c2ccccc2C1C(=O)NCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 5/20 0.61
TSHR P16473 2/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KCNH2 Q12809 3/20 0.41
SCN9A Q15858 2/20 0.41
SCN5A Q14524 1/20 0.39
TNF P01375 1/20 0.39
P2RX7 Q99572 3/20 0.38
KMT2A Q03164 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTSL P07711 1/20 0.37
PTPRC P08575 1/20 0.37
PTPN13 Q12923 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3763206 0.89 KCNA5 (0.79) KCNA5TSHRHTTL3MBTL1KCNH2
SCHEMBL3749185 0.88 KCNA5 (0.54) KCNA5TSHRHTTL3MBTL1KCNH2
SCHEMBL3758930 0.86 KCNA5 (0.57) KCNA5TSHRHTTL3MBTL1KCNH2
SCHEMBL3754129 0.83 KCNA5 (0.53) KCNA5TSHRHTTL3MBTL1KCNH2
SCHEMBL3755379 0.80 KCNA5 (0.50) KCNA5TSHRHTTL3MBTL1KCNH2
SCHEMBL3755943 0.76 KCNA5 (1.00) KCNA5TSHRHTTL3MBTL1KCNH2
SCHEMBL3751958 0.75 KCNA5 (0.82) KCNA5KCNH2SCN9ASCN5ATDP1
SCHEMBL3745343 0.75 KCNA5 (0.78) KCNA5TSHRKCNH2SCN9ASCN5A
SCHEMBL3750669 0.74 KCNA5 (0.86) KCNA5TSHRHTTL3MBTL1KCNH2
SCHEMBL4030993 0.74 KCNA5 (0.51) KCNA5TSHRHTTL3MBTL1KCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP claimed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO claimed